| CAS Number | 1793003-65-2 |
| Catalog Number | AG00HZXW |
| Chemical Name | 4-(1-Cyano-1-methylethyl)-2-fluorophenylboronic acid |
| IUPAC Name | [4-(2-cyanopropan-2-yl)-2-fluorophenyl]boronic acid |
| InChI | InChI=1S/C10H11BFNO2/c1-10(2,6-13)7-3-4-8(11(14)15)9(12)5-7/h3-5,14-15H,1-2H3 |
| InChI Key | PYLDACORZHNYTJ-UHFFFAOYSA-N |
| MDL Number | MFCD22375016 |
| Molecular Formula | C10H11BFNO2 |
| Molecular Weight | 207.0092 |
| SMILES | N#CC(c1ccc(c(c1)F)B(O)O)(C)C |
| Synonyms | 4-(1-Cyano-1-methylethyl)-2-fluorophenylboronic acid,
1793003-65-2,
C10H11BFNO2,
MFCD22375016,
ZINC169978105,
Y2609,
B-9829,
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| Complexity | 274 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 207.087g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 207.011g/mol |
| Monoisotopic Mass | 207.087g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 64.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
Lot Number